2-Bromo-1-octene

Base Information

• Chemical Name: 2-Bromo-1-octene
• CAS No.: 13249-60-0
• Molecular Formula: C8H15 Br
• Molecular Weight: 191.111
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID90495941
• Nikkaji Number: J969.484F
• Wikidata: Q82344419
• Mol file: 13249-60-0.mol

Synonyms:2-bromo-1-octene;2-Bromooct-1-ene;13249-60-0;2-bromo-oct-1-ene;MFCD00671860;1-Octene, 2-bromo-;2-bromo-octene;SCHEMBL3003455;DTXSID90495941;NLKXPBFMZLDRSX-UHFFFAOYSA-N;AKOS016016639

Chemical Property of 2-Bromo-1-octene

Chemical Property:

• Vapor Pressure: 1.028mmHg at 25°C
• Refractive Index: 1.462
• Boiling Point: 183.9°Cat760mmHg
• Flash Point: 75.5°C
• PSA: 0.00000
• Density: 1.133g/cm³
• LogP: 3.86540
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 190.03571
• Heavy Atom Count: 9
• Complexity: 76.6

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-1-octene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=C)Br

Technology Process of 2-Bromo-1-octene

There total 19 articles about 2-Bromo-1-octene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

2-octen-2-yl diphenyl phosphate (1374350-55-6) + C21H27O4P + oct-1-en-2-yl diphenyl phosphate (87436-98-4) → 2-bromo-1-octene (13249-60-0) + 1-bromonon-1-ene (90675-85-7) + (Z)-2-bromooct-2-ene + (E)-2-bromooct-2-ene

Guidance literature:

With tris(acetonitrile)pentamethylcyclopentadienylruthenium(II) hexafluorophosphate; lithium bromide; at 25 ℃; for 12h; stereoselective reaction; Inert atmosphere;

DOI:10.1021/ja307771d

Reference yield: 85.7%

n-pentylmagnesium bromide (693-25-4) + 2-bromoallyl bromide (513-31-5) → 2-bromo-1-octene (13249-60-0)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; for 2h;

Reference yield: 85.0%

n-octyne (629-05-0) → 2-bromo-1-octene (13249-60-0)

Guidance literature:

n-octyne; With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); diisobutylaluminium hydride; In tetrahydrofuran; at 0 - 22 ℃; Inert atmosphere;

With N-Bromosuccinimide; In tetrahydrofuran; at 0 - 22 ℃;

DOI:10.1021/ja104896b

upstream raw materials:

1,5-dibromo-pentane

diethyl ether

pentamethylenebis(magnesium bromide)

2-bromoallyl bromide

Downstream raw materials:

n-octyne

2-phenyl-1-octene

1,4-Bis(1-hexylethenyl)benzene

1-(1-methylideneheptyl)naphthalene